SCHEMBL7893162

SCHEMBL7893162

CC(=O)NCCn1c(O)cc(C)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
TP53 P04637 3/20 0.47
GAA P10253 1/20 0.41
MTNR1A P48039 6/20 0.38
MTNR1B P49286 6/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
BLM P54132 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11326890 0.82 IDH1 (0.37) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9013814 0.78 MAPT (0.38) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL11242010 0.77 KDM4E (0.46) KDM4ETP53GAAMTNR1AMTNR1B
SCHEMBL10531764 0.76 POLB (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7893096 0.76 KDM4E (0.53) KDM4ETP53GAAALDH1A1CYP1A2
SCHEMBL4811212 0.76 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL7883040 0.76 KDM4E (0.52) KDM4EALDH1A1HSD17B10MAPTMAPK1
SCHEMBL8913612 0.75 POLB (0.38) KDM4ETP53ALDH1A1CYP1A2MEN1
SCHEMBL7893080 0.74 KDM4E (0.48) KDM4ETP53GAAALDH1A1NPSR1
SCHEMBL7893081 0.74 KDM4E (0.43) KDM4ETP53GAAMTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177552-B1 CONTAINING (((VINYLSULFONYL)ALKYLAMINO)ALKYLSULFONYL)PHENYLAZO GROUPS DYSTARTEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-01-23 US disclosed
EP-0489360-B1 Water-soluble azocompounds, process for their preparation and their use as dyes HOECHST AG (DE) 1995-09-20 EP disclosed
EP-0399411-B1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-07-13 EP disclosed
EP-0381133-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1994-03-02 EP disclosed
EP-0384276-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-11-10 EP disclosed
US-5216138-A With vinyl sulfonyl group HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0489360-A1 Water-soluble azocompounds, process for their preparation and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-10 EP disclosed
US-5021559-A Water-soluble azo compounds containing a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-5010180-A Printing, dyeing HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0399411-A1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-28 EP disclosed
EP-0381133-A1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-08 EP disclosed
EP-0078024-B1 WATER-SOLUBLE PYRIDONE AZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-19 EP disclosed
EP-0078024-A1 Water-soluble pyridone azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-04 EP disclosed